Reaction Details Report a problem with these data
Target
Histone deacetylase 1
Ligand
BDBM50129134
Substrate
n/a
Meas. Tech.
ChEMBL_1523183 (CHEMBL3632099)
IC50
1050±n/a nM
Citation
 Ni, M; Esposito, E; Raj, VP; Muzi, L; Zunino, F; Zuco, V; Cominetti, D; Penco, S; Dal Pozzo, A New macrocyclic analogs of the natural histone deacetylase inhibitor FK228; design, synthesis and preliminary biological evaluation. Bioorg Med Chem 23:6785-93 (2015) [PubMed]  Article 
Target
Name:
Histone deacetylase 1
Synonyms:
Cereblon/Histone deacetylase 1 | HD1 | HDAC1 | HDAC1_HUMAN | Histone deacetylase 1 (HDAC1) | Human HDAC1 | RPD3L1
Type:
Enzyme
Mol. Mass.:
55090.27
Organism:
Homo sapiens (Human)
Description:
Q13547
Residue:
482
Sequence:
MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKANAEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVASAVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAIFKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGGGGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLEKIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEDDPDKRISICSSDKRIACEEEFSDSEEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVKLA
  
Inhibitor
Name:
BDBM50129134
Synonyms:
CHEMBL3628322
Type:
Small organic molecule
Emp. Form.:
C31H42N6O6S
Mol. Mass.:
626.767
SMILES:
CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)Cn2cc1nn2)\C=C\CCSC(C)=O)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity: